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make minimize work with KOKKOS package without -suffix or suffix command

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Axel Kohlmeyer
2025-04-14 10:59:54 -04:00
parent b081d289c1
commit 689b542da6
1 changed files with 4 additions and 1 deletions
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5
src/min.cpp
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@ -113,7 +113,10 @@ void Min::init()
// create fix needed for storing atom-based quantities
// will delete it at end of run
fix_minimize = dynamic_cast<FixMinimize *>(modify->add_fix("MINIMIZE all MINIMIZE"));
if (lmp->kokkos)
fix_minimize = dynamic_cast<FixMinimize *>(modify->add_fix("MINIMIZE all MINIMIZE/kk"));
else
fix_minimize = dynamic_cast<FixMinimize *>(modify->add_fix("MINIMIZE all MINIMIZE"));
// clear out extra global and per-atom dof
// will receive requests for new per-atom dof during pair init()